Exact Mass: 556.1515
Exact Mass Matches: 556.1515
Found 340 metabolites which its exact mass value is equals to given mass value 556.1515
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aurasperone D
Aurasperone D is found in mango. Aurasperone D is a mycotoxin from Aspergillus niger infected mango fruits. Mycotoxin from Aspergillus niger infected mango fruits. Aurasperone D is found in mango.
6-O-Demethylnigerone
6-O-Demethylnigerone is from Aspergillus niger. Mycotoxin. From Aspergillus niger. Mycotoxin.
Cassitoroside
Constituent of the seeds of Cassia tora (charota). Cassitoroside is found in coffee and coffee products, herbs and spices, and pulses. Cassitoroside is found in coffee and coffee products. Cassitoroside is a constituent of the seeds of Cassia tora (charota).
Dianhydroaurasperone C
Dianhydroaurasperone C is produced by Aspergillus niger. Production by Aspergillus niger.
N-[4-[3-Chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
Cefluprenam
Niceritrol
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AD - Nicotinic acid and derivatives C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
Salvianolic acid K
Salvianolic acid K, also known as salvianolate K, is a member of the class of compounds known as lignans, neolignans and related compounds. Lignans, neolignans and related compounds are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5, C8-C8. Most known natural lignans are oxidized at C9 and C9¬¥ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. Salvianolic acid K is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Salvianolic acid K can be found in common sage, which makes salvianolic acid K a potential biomarker for the consumption of this food product. Salvianolic acid K, also known as salvianolate K, is a member of the class of compounds known as lignans, neolignans and related compounds. Lignans, neolignans and related compounds are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5, C8-C8. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. Salvianolic acid K is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Salvianolic acid K can be found in common sage, which makes salvianolic acid K a potential biomarker for the consumption of this food product.
Aloeresin D
Aloeresin D is a natural product found in Aloe africana, Aloe ferox, and other organisms with data available. Aloeresin D is a chromone glycoside isolated from Aloe vera, inhibits β-Secretase (BACE1) activity, with an IC50 of 39 μM[1]. Aloeresin D is a chromone glycoside isolated from Aloe vera, inhibits β-Secretase (BACE1) activity, with an IC50 of 39 μM[1].
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate
8-C-Glucosyl-(2-O-cinnamoyl)-7-O-methylaloediol A
8-C-Glucosyl-(2-O-cinnamoyl)-7-O-methylaloediol B
SSR 69071
CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8076; ORIGINAL_PRECURSOR_SCAN_NO 8073 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8117; ORIGINAL_PRECURSOR_SCAN_NO 8114 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8117; ORIGINAL_PRECURSOR_SCAN_NO 8115 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8152; ORIGINAL_PRECURSOR_SCAN_NO 8150 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8162; ORIGINAL_PRECURSOR_SCAN_NO 8160 CONFIDENCE standard compound; INTERNAL_ID 510; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8177; ORIGINAL_PRECURSOR_SCAN_NO 8174
Telacebec
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
curtisian A
A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 3, 5 and 6, hydroxy groups at positions 4 and 4 and a benzyloxy group at position 2. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity.
7-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]methyl-4-hydroxy-5H-furo[3,2-g][1]benzopyran-5-one
2-O-beta-D-Glucopyranoside-2-Acetonyl-6-glucosyl-7-hydroxy-5-methylchromone
(-)-(7R,8S,7S,8R)-3,3,5,5-tetramethoxy-4-hydroxy-4,7-epoxy-8,9-dinor-4,8-oxy-8,3-sesquineolignan-7,9,9-triol-7-al
A neolignan isolated from the stems of Sinocalamus affinis.
(2S,2S)-2,3,2,3-tetrahydro-4-O-methylamentoflavone|(2S,2S)-2,3,2,3-tetrahydroamentoflavone-4-methyl ether|(2S,2S)-2,3,2,3-tetrahydrobilobetin
4-((4-hydroxy-4-((2-hydroxyethoxy)methyl)-3-((4-hydroxyphenyl)ethynyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one|selaginellin M
4-O-(2,3-O-diacetyl-6-O-p-coumaroyl-beta-D-glucopyranosyl)-p-coumaric acid
2S-2-(4-hydroxyphenyl)-9,10,11-trihydroxy-2H-benzo[c]furo[2,3-f ]-chromen-7(3H)-one-4-O-beta-D-glucopyranoside|polygonumoside A
6-O-[(6-O-malonyl)-beta-D-glucopyranosyl]-5-hydroxy-7-(4-hydroxyphenyl)-3H-benzo[de]isochromen-1-one
aloenin 2-p-coumaroyl ester|aloenin-2-p-coumaroyl ester|p-coumaroyl aloenin
2鈥樎団€樎?O-beta-D-Glucopyranoside-5-Acetonyl-6-glucosy-7-hydroxy-2-methyl-4H-1-benzopyran-4-one|alpha-2-O-glucoside of 6-C-glucosyl-5-acetonyl-7-hydroxy-2-methyl chromone
(R,S)-4-{(4-hydroxyphenyl)[4-hydroxy-4-(dimethoxy-methyl)-3-((4-hydroxyphenyl)ethynyl)biphenyl-2-yl]methylene}cyclohexa-2,5-dienone|selaginellin E
Niceritrol
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AD - Nicotinic acid and derivatives C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
Sikokianin A
Sikokianin A is a natural product found in Stellera chamaejasme with data available.
Neoprzewaquinone A
CID 124222343 is a natural product found in Salvia przewalskii with data available.
3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
3-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one [IIN-based: Match]
Asp Glu Met Tyr
Asp Glu Tyr Met
Asp Met Glu Tyr
Asp Met Tyr Glu
Asp Tyr Glu Met
Asp Tyr Met Glu
Glu Asp Met Tyr
Glu Asp Tyr Met
Glu Met Asp Tyr
Glu Met Tyr Asp
Glu Tyr Asp Met
Glu Tyr Met Asp
Met Asp Glu Tyr
Met Asp Tyr Glu
Met Glu Asp Tyr
Met Glu Tyr Asp
Met Tyr Asp Glu
Met Tyr Glu Asp
Tyr Asp Glu Met
Tyr Asp Met Glu
Tyr Glu Asp Met
Tyr Glu Met Asp
Tyr Met Asp Glu
Tyr Met Glu Asp
6-O-Demethylnigerone
Dianhydroaurasperone C
Cassitoroside
7-(4-{[3-(2,6-Difluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}- 1-piperazinyl)-6-fluoro-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3- carboxylic acid
o-cresolsulfonphthalein-3,3-bis(methylaminoacetic acid sodium salt)
R-3,3-Bis(3,5-bis(methyl)phenyl)-1,1-binaphthyl-2,2-diyl hydrogenphosphate
5-(4-(Bromomethyl)-[1,1-biphenyl]-2-yl)-1-trityl-1H-tetrazole
5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole
neratinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EH - Human epidermal growth factor receptor 2 (her2) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163760 - HER2-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159156 - HER2 Inhibitor
(-)-1,2-bis((2s,5s)-2,5-dimethylphospholano)ethane(cyclooctadiene)rhodium (i) tetrafluoroborate
N-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl Lansoprazole Sulfide
(1Z,5Z)-cycloocta-1,5-diene,(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane,rhodium,tetrafluoroborate
Cefluprenam
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
3-[5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-beta-L-allose
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-alpha-D-glucose
3-[(E)-3-[(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
4-chloro-N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-chloro-N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)acetamide
4-chloro-N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-chloro-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)acetamide
4-chloro-N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
4-chloro-N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
4-chloro-N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylbenzenesulfonamide
7,13-Bis[(2-chloro-4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
(2S)-2-amino-5-[[(2R)-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
D-ribitol-(5-P-2)-alpha-D-Galp-(1->3)-alpha-D-Glcp
A disaccharide phosphate consisting of alpha-D-galactosyl-(1->3)-alpha-D-glucose having a D-ribitol-5-phosphate moiety attached at the 2-position of the galactose via a phosphodiester linkage.
7,19-dimethyl (1s,5r,17s)-8,20-dihydroxy-2,2-dimethyl-4-oxo-3,16,28-trioxaheptacyclo[15.11.0.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴.0¹⁸,²⁷.0²¹,²⁶]octacosa-6(15),7,9,11,13,18(27),19,21,23,25-decaene-7,19-dicarboxylate
3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one
4-bromo-n-{[(1r,2s,3s,4r)-2-[(4r)-5-hydroxy-2-imino-3,4-dihydroimidazol-4-yl]-3-(2-imino-1,3-dihydroimidazol-4-yl)-4-[(1h-pyrrol-2-ylformamido)methyl]cyclobutyl]methyl}-1h-pyrrole-2-carboxamide
methyl (4s,5e,6s)-4-{2-[(2s)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-2-oxoethyl}-5-ethylidene-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate
2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl acetate
9-(2h-1,3-benzodioxol-5-yl)-4-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
3-{4-[2-({4-[2-({4-[(1e)-but-1-en-1-yl]-2,5-dioxofuran-3-yl}methyl)butyl]-2,5-dioxofuran-3-yl}methyl)butyl]-2,5-dioxofuran-3-yl}propanoic acid
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(5r,6s)-6-{[(2s,3r,4s,5s,6r)-3-{[1,1'-biphenyl]-3,3',5-triyloxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-ethenyl-3h,5h,6h-pyrano[3,4-c]pyran-1-one
10-{4,5-dihydroxy-10-methoxy-2-methyl-8-oxocyclohexa[h]chromen-6-yl}-5-hydroxy-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
(2r,3r)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3-yl benzoate
4-bromo-n-{[2-(5-hydroxy-2-imino-3,4-dihydroimidazol-4-yl)-3-(2-imino-1,3-dihydroimidazol-4-yl)-4-[(1h-pyrrol-2-ylformamido)methyl]cyclobutyl]methyl}-1h-pyrrole-2-carboxamide
2,12-bis(acetyloxy)-8-chloro-3,18-dihydroxy-4,13,18-trimethyl-9-methylidene-5-oxo-6,15-dioxatetracyclo[11.5.0.0³,⁷.0¹⁴,¹⁶]octadec-10-en-17-yl acetate
(2r,3s)-3-[(2r,3r)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2s,3s)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2h-1-benzopyran-3-yl benzoate
(2s,3s)-3-[(2s,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzopyran-4-one
1,2',5',8,10'-pentahydroxy-3,7'-dimethoxy-2',6-dimethyl-1',3'-dihydro-10h-[2,9'-bianthracene]-4',9-dione
2-[3-(2,4-dihydroxyphenoxy)-4-hydroxyphenyl]-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
(15r)-3,4,5-trihydroxy-15-(4-hydroxyphenyl)-12-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,16-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1(10),2(7),3,5,11,13(17)-hexaen-8-one
(1r,3r,7r,12r,14r,15r,16s,17r,20z,22e,24r,25s,28r)-25-hydroxy-10,16-dimethyl-2,5,13,18,27,31-hexaoxaspiro[heptacyclo[22.4.3.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶.0²⁴,²⁸]dotriacontane-15,2'-oxirane]-10,20,22-triene-4,19,26-trione
7,19-dimethyl (1r,5r,17s)-8,20-dihydroxy-2,2-dimethyl-4-oxo-3,16,28-trioxaheptacyclo[15.11.0.0¹,⁵.0⁶,¹⁵.0⁹,¹⁴.0¹⁸,²⁷.0²¹,²⁶]octacosa-6(15),7,9,11,13,18(27),19,21,23,25-decaene-7,19-dicarboxylate
3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
4,5-dihydroxy-2-[5-hydroxy-2-(4-methoxy-6-oxopyran-2-yl)-3-methylphenoxy]-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoate
(1s,2s,3r,5r,7r,8r,9s,12r,13r)-3-(acetyloxy)-2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxo-10,14,17-trioxaspiro[pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane-5,3'-pyran]-8-yl acetate
methyl (2z)-3-[(1r,2r,4s,7s,8s,10r,12r)-10-(acetyloxy)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5,13,18-trioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
2-(4-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-hydroxyphenoxy)-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
10-hydroxyoleuropein
{"Ingredient_id": "HBIN000151","Ingredient_name": "10-hydroxyoleuropein","Alias": "NA","Ingredient_formula": "C25H32O14","Ingredient_Smile": "COC(=O)C1=COC(C(=CCO)C1CC(=O)OCCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "556.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37798","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6440747","DrugBank_id": "NA"}
2''-o-cinnamoyl-8-c-glucosyl-7-o-methylaloediol a
{"Ingredient_id": "HBIN006212","Ingredient_name": "2''-o-cinnamoyl-8-c-glucosyl-7-o-methylaloediol a","Alias": "NA","Ingredient_formula": "C29H32O11","Ingredient_Smile": "NA","Ingredient_weight": "556.565","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8543","PubChem_id": "NA","DrugBank_id": "NA"}
2''-o-cinnamoyl-8-c-glucosyl-7-o-methylaloediol b
{"Ingredient_id": "HBIN006213","Ingredient_name": "2''-o-cinnamoyl-8-c-glucosyl-7-o-methylaloediol b","Alias": "NA","Ingredient_formula": "C29H32O11","Ingredient_Smile": "NA","Ingredient_weight": "556.565","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8542","PubChem_id": "NA","DrugBank_id": "NA"}
(2''r)-2''-hydroxyoleuropein
{"Ingredient_id": "HBIN006378","Ingredient_name": "(2''r)-2''-hydroxyoleuropein","Alias": "NA","Ingredient_formula": "C25H32O14","Ingredient_Smile": "CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC(C3=CC(=C(C=C3)O)O)O","Ingredient_weight": "556.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10551","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102461562","DrugBank_id": "NA"}
(2''s)-2''-hydroxyoleuropein
{"Ingredient_id": "HBIN006597","Ingredient_name": "(2''s)-2''-hydroxyoleuropein","Alias": "NA","Ingredient_formula": "C25H32O14","Ingredient_Smile": "CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC(C3=CC(=C(C=C3)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10552","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-4'-methoxyisoflavan-2',5'-quinone(4→5')-2',7-dihydroxy-4'-methoxyisoflavan
{"Ingredient_id": "HBIN013235","Ingredient_name": "7-hydroxy-4'-methoxyisoflavan-2',5'-quinone(4\u21925')-2',7-dihydroxy-4'-methoxyisoflavan","Alias": "NA","Ingredient_formula": "C32H28O9","Ingredient_Smile": "NA","Ingredient_weight": "556.56","OB_score": "NA","CAS_id": "100478-03-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7453","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxylneochaejasmin a
{"Ingredient_id": "HBIN013344","Ingredient_name": "7-methoxylneochaejasmin a","Alias": "NA","Ingredient_formula": "C31H24O10","Ingredient_Smile": "COC1=CC(=C2C(=C1)OC(C(C2=O)C3C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13982","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aloesinol; (2'r)-form,1'-hydroxy,7-me ether,2''-o-cinnamoyl(e-)
{"Ingredient_id": "HBIN015307","Ingredient_name": "aloesinol; (2'r)-form,1'-hydroxy,7-me ether,2''-o-cinnamoyl(e-)","Alias": "NA","Ingredient_formula": "C29H32O11","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6993","PubChem_id": "NA","DrugBank_id": "NA"}
aloesinol; (2'r)-form,1'-hydroxy,7-me ether,2''-o-cinnamoyl(e-),stereoisomer
{"Ingredient_id": "HBIN015308","Ingredient_name": "aloesinol; (2'r)-form,1'-hydroxy,7-me ether,2''-o-cinnamoyl(e-),stereoisomer","Alias": "NA","Ingredient_formula": "C29H32O11","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6992","PubChem_id": "NA","DrugBank_id": "NA"}
amaronitidin
{"Ingredient_id": "HBIN015819","Ingredient_name": "amaronitidin","Alias": "NA","Ingredient_formula": "C28H28O12","Ingredient_Smile": "C=CC1C(OC=C2C1=CCOC2=O)OC3C(C(C(C(O3)CO)O)O)OC4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O","Ingredient_weight": "556.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1019","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101720810","DrugBank_id": "NA"}
arurasperone d
{"Ingredient_id": "HBIN017012","Ingredient_name": "arurasperone d","Alias": "NA","Ingredient_formula": "C31H24O10","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C(C=C(C=C64)OC)O)O)C(=O)C=C(O5)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}